Vitas-M small molecule compound
N-(2-chloro-4-fluorobenzyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL029381
SMILES CC(CCn1c(SCC(=O)NCc2ccc(cc2Cl)F)nc2c(c1=O)scc2)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H21ClFN3O2S2 MW 453.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClFN3O2S2/c1-12(2)5-7-25-19(27)18-16(6-8-28-18)24-20(25)29-11-17(26)23-10-13-3-4-14(22)9-15(13)21/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,23,26)InChIKey
XIIDBNXDFUDTEL-UHFFFAOYSA-NSynonyms
1252930-13-41252930134
CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NCC3=C(C=C(C=C3)F)Cl
InChI=1SC20H21ClFN3O2S2c112(2)572519(27)1816(682818)2420(25)291117(26)2310133414(22)915(13)21h3468912H571011H212H3(H2326)
MFCD18189689
N((2chloro4fluorophenyl)methyl)2(3(3methylbutyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
N(2chloro4fluorobenzyl)2((3(3methylbutyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000057426080
ZINC57426080
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